input word = C00049386

Metabolite InformationStructural formula
Name Maprouneacin
Formula C40H56O13
Mw 744.37209188
CAS RN 219831-65-9
C_ID C00049386 ,
InChIKey XVYNJBXBKDCQQP-PPCXGKDWNA-N
InChICode InChI=1S/C40H56O13/c1-8-9-10-11-12-13-14-15-37-51-33-29-32-36(20-41,50-32)34(45)38(46)26(18-24(6)30(38)44)39(29,52-37)25(19-47-27(42)16-22(2)3)31(49-28(43)17-23(4)5)40(33,53-37)35(7)21-48-35/h12-15,18,22-23,25-26,29,31-34,41,45-46H,8-11,16-17,19-21H2,1-7H3/b13-12+,15-14+/t25-,26-,29+,31+,32+,33-,34-,35-,36+,37+,38?,39?,40+/m1/s1
SMILES CCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@]5(O)C(=O)C(C)=C[C@H]5[C@@]4(O1)[C@H](COC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@]3([C@@]1(C)CO1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMaprounea africana Ref.
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OrganismMaprounea africana
ReferenceCarney,J.Nat.Prod.,62,(1999),345